SCAPS-1D .def file for MASnI3_Perovskite

The SCAPS-1D .def file is a device definition file used in SCAPS-1D, a one-dimensional solar cell simulation software developed for modeling thin-film photovoltaic devices. This file contains all the essential parameters required to reproduce the numerical simulation of a MASnI₃ (methylammonium tin iodide) perovskite solar cell.

Specifically, the .def file includes:

• Device structure configuration: Layer sequence (e.g., TCO/ETL/MASnI₃ absorber/HTL/back contact), thicknesses, and material assignments.
• Material properties: Bandgap energy, electron affinity, dielectric permittivity, effective density of states, and carrier mobilities for each layer.
• Defect parameters: Bulk and interface defect densities, energy levels, and capture cross-sections, which are critical for defect engineering studies.
• Doping concentrations: Donor and acceptor densities defining n-type and p-type regions.
• Interface properties: Recombination velocities and interface defect distributions between adjacent layers.
• Electrical contacts: Work functions and boundary conditions for front and back electrodes.
• Simulation conditions: Illumination spectrum (e.g., AM1.5G), temperature, and voltage sweep settings used for J–V and quantum efficiency analysis.

This file enables full reproducibility of the SCAPS-1D simulations presented in the associated study on MASnI₃ perovskite solar cells, particularly for investigating defect density optimization and device performance metrics such as open-circuit voltage (Voc), short-circuit current density (Jsc), fill factor (FF), and power conversion efficiency (PCE).